1,3-Isobenzofurandione, Polymer With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol, 1,2-Propanediol And 1,2,3-Propanetriol, Benzoate (Z,Z)-9,12-Octadecadienoate
[CAS# 98721-48-3]

Identification

• Name: 1,3-Isobenzofurandione, Polymer With 2,2-Bis(Hydroxymethyl)-1,3-Propanediol, 1,2-Propanediol And 1,2,3-Propanetriol, Benzoate (Z,Z)-9,12-Octadecadienoate
• Synonyms: 2,2-Bis(Hydroxymethyl)Propane-1,3-Diol; 2,3-Dihydroxypropyl Benzoate; Isobenzofuran-1,3-Dione; (9Z,12Z)-Octadeca-9,12-Dienoic Acid; Propane-1,2-Diol; Benzoic Acid 2,3-Dihydroxypropyl Ester
• Molecular Formula: C₄₄H₆₈O₁₅
• Molecular Weight: 837.01
• CAS Registry Number: 98721-48-3
• SMILES: C1=CC=CC2=C1C(OC2=O)=O.C3=C(C(OCC(O)CO)=O)C=CC=C3.C(O)C(CO)(CO)CO.C(C(=O)O)CCCCCC\C=C/C/C=C\CCCCC.C(O)C(O)C
• InChI: 1S/C18H32O2.C10H12O4.C8H4O3.C5H12O4.C3H8O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;11-6-9(12)7-14-10(13)8-4-2-1-3-5-8;9-7-5-3-1-2-4-6(5)8(10)11-7;6-1-5(2-7,3-8)4-9;1-3(5)2-4/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);1-5,9,11-12H,6-7H2;1-4H;6-9H,1
• InChIKey: UBYHJNIFHSLIAX-YLLHCXABSA-N

Properties

• Boiling point: 360.6°C at 760 mmHg (Cal.)
• Flash point: 273°C (Cal.)